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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Extreme Enhancement-Mode Operation Accumulation Channel Hydrogen-Terminated Diamond FETs with V th < -6 V and High on-Current

In this work, a new Field Effect Transistor device concept based on hydrogen-terminated diamond (H-diamond) is demonstrated that operates in an Accumulation Channel rather than a Transfer Doping regime. The FET devices demonstrate both extreme enhancement-mode operation and high on-current with improved channel charge mobility compared to Transfer-Doped equivalents. Electron-beam evaporated Al 2 O 3 is used on H-diamond to suppress the Transfer Doping mechanism and produce an extremely high ungated channel resistance. A high-quality H-diamond surface with an unpinned Fermi level is crucially achieved, allowing for the formation of a high-density hole accumulation layer by gating the entire device channel which is encapsulated in dual-stacks of Al 2 O 3 . Completed devices with gate/channel length of 1 µm demonstrate record threshold voltage < -6 V with on-current > 80 mA mm -1 . Carrier density and mobility figures extracted by CV analysis indicate a high 2D charge density of ≈ 2 × 10 12 cm -2 and increased hole mobility of 110 cm 2 V -1 s -1 in comparison with more traditional Transfer-Doped H-diamond FETs. These results demonstrate the most negative threshold voltage yet reported for H-diamond FETs and highlight a powerful new strategy to greatly improve carrier mobility and enable enhanced high power and high frequency diamond transistor performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Revisiting the Hole Size in Double Helical DNA with Localized Orbital Scaling Corrections

The extent of electronic wave function delocalization for the charge carrier (electron or hole) in double helical DNA plays an important role in determining the DNA charge transfer mechanism and kinetics. The size of the charge carrier’s wave function delocalization is regulated by the solvation induced localization and the quantum delocalization among the π stacked base pairs at any instant of time. Using a newly developed localized orbital scaling correction (LOSC) density functional theory method, we accurately characterized the quantum delocalization of the hole wave function in double helical B-DNA. This approach can be used to diagnose the extent of delocalization in fluctuating DNA structures. Our studies indicate that the hole state tends to delocalize among 4 guanine–cytosine (GC) base pairs and among 3 adenine–thymine (AT) base pairs when these adjacent bases fluctuate into degeneracy. The relatively small delocalization in AT base pairs is caused by the weaker π–π interaction. This extent of delocalization has significant implications for assessing the role of coherent, incoherent, or flickering coherent carrier transport in DNA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Photoinduced Electron-Transfer Distance Is Controlled by the Driving Force in Solid-State Organic Donor-Acceptor Systems

Understanding how short-range electron transfer generates photocurrent in organic solar cells and what photochemical driving force is needed to maximize efficiencies has been an immensely difficult problem. Here we show how these questions are intertwined: the driving force controls the average charge-transfer distance, skipping the shortest-range states in the optimal case. Using photoinduced absorption-detected magnetic resonance, we measure average charge-separation distances in dilute donor–acceptor blends as a function of driving force, and compare these with free charge yields measured by time-resolved microwave conductivity. We find that the largest driving forces show the shortest charge-separation distances, explaining their suppressed free-carrier generation. These results support a long-range electron-transfer model, wherein the driving force controls the initial delocalization of the electron–hole pair. The minimum driving force required for efficient charge separation (and minimal voltage losses) is ultimately set by the dielectric constant of the material.

14 SOLAR ENERGY↗
NASA NTRS2003

An Innovative Manufacturing of CCC Ion Thruster Grids by North Carolina A&T's RTM Carbon/Carbon Process

Electric ion thrusters are the preferred engines for deep space missions, because of very high specific impulse. The ion engine consists of screen and accelerator grids containing thousands of concentric very small holes. The xenon gas accelerates between the two grids, thus developing the impulse force. The dominant life-limiting mechanism in the state-of-the-art molybdenum thrusters is the xenon ion sputter erosion of the accelerator grid. Carbon/carbon composites (CCC) have shown to be have less than 1/7 the erosion rates than the molybdenum, thus for interplanetary missions CCC engines are inevitable. Early effort to develop CCC composite thrusters had a limited success because of limitations of the drilling technology and the damage caused by drilling. The proposed is an in-situ manufacturing of holes while the CCC is made. Special low CTE molds will be used along with the NC A&T s patented resin transfer molding (RTM) technology to manufacture the CCC grids. First, a manufacture process for 10-cm diameter thruster grids will be developed and verified. Quality of holes, density, CTE, tension, flexure, transverse fatigue and sputter yield properties will be measured. After establishing the acceptable quality and properties, the process will be scaled to manufacture 30-cm diameter grids. The properties of the two grid sizes are compared with each other.

Haag, Thomas W.↗
NASA NTRS1990

The mechanism of high-T(sub c) superconductivity due to bound hole mediators: Relationship to ferroelectricity

The mediation by bound holes creating Cooper pairing in high T(sub c) superconductors has its origin in charge transfer excitations on the multivalence cation (virtual excitions) and in bound excitions or polarizations associated with the oxygen 2p electrons. These phenomena are produced and/or enhanced by a high internal electric field which is itself created by virtue of the unique crystal structures and polyhedral building blocks of high T(sub c) materials. The polarizations which can create oxygen holes (in addition to excitions) may be due to simply the internal electric field or to polaronic and electron-deficient bond behavior. This gives rise to two energy-dependent oxygen bands near the Fermi level. The magnitude and direction of the internal electric fields were calculated for Y1Ba2Cu3O(7-delta) (1-2-3) and show strong z-direction fields at the Cu(2), O2, and O3 sites and an even stronger -z direction field at the O4 site. The field calculations also show why electrical conductivity in the 1-2-3 material is essentially in the base plane of the CuO5 pyramid (the CuO2 plane).

Vezzoli, G. C.↗
DOE OSTI2024

Visible Light Photolysis at Single Atom Sites in Semiconductor Perovskite Oxides

Designing catalysts with well-defined active sites with chemical functionality responsive to visible light has significant potential for overcoming scaling relations limiting chemical reactions over heterogeneous catalyst surfaces. Visible light can be leveraged to facilitate the removal of strongly bound species from well-defined single cationic sites (Rh) under mild conditions (323 K) when they are incorporated within a photoactive perovskite oxide (Rh-doped SrTiO 3 ). CO, a key intermediate in many chemistries, forms stable geminal dicarbonyl Rh complexes (Rh + (CO) 2 ), that could act as site blockers or poisons during a catalytic cycle. For the first time, we demonstrate that CO removal can occur at mild temperatures (323 K) under low-energy red light (635 nm) irradiation, which is not possible for supported isolated-site Rh catalysts (0.2 wt % Rh/γ-Al 2 O 3 ). Photolysis of supported Rh + (CO) 2 complexes (e.g., 0.2 wt % Rh/γ-Al 2 O 3 ) has been demonstrated but is limited to high energy UV photons. Rigorous kinetic experiments elucidate disparate mechanisms for CO photodepletion from Rh-doped SrTiO 3 and supported isolated site Rh/γ-Al 2 O 3 . CO photodepletion from supported isolated site Rh/γ-Al 2 O 3 involves a direct metal to ligand charge transfer mechanism, whereas Rh-doped SrTiO 3 is governed by electron–hole pair formation in the perovskite. In this work, we show that under visible, low-energy red light, surface Rh species in Rh-doped SrTiO 3 introduce midgap energy states above the valence band that facilitate electronic excitations leading to surface CO removal. Isolated Rh sites in Rh-doped SrTiO 3 also exhibit exceptional stability under multiple CO photodepletion cycles. Overall, incorporating single sites into photoactive perovskite oxides is an effective strategy to influence surface chemistries with visible light.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Signatures of multiple charge excitations in resonant inelastic x-ray scattering spectra of metals

In this work, we study how multiple charge excitations appear in the resonant inelastic x-ray scattering (RIXS) spectra of metals. Typically, the focus is upon single excitations in the problem, the plasmons and electron-hole pairs, while the multiexcitation processes are neglected. However, at small momentum transfer the multiexcitation contributions may dominate the signal and one needs to understand how to interpret the data in such cases. In particular, we demonstrate how to “decode” the total multiexcitation intensity and extract the plasmon dispersion. Furthermore, while our calculations are based on the random phase approximation for jellium, which does not allow us to obtain quantitatively precise results in the entire region of parameters, we expect them to capture semiqualitatively all features expected for charged Fermi-liquid states, including universal and singular properties of the RIXS spectra.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2007

High Performance Simulations of Accretion Disk Dynamics and Jet Formations Around Kerr Black Holes

We investigate jet formation in black-hole systems using 3-D General Relativistic Particle-In-Cell (GRPIC) and 3-D GRMHD simulations. GRPIC simulations, which allow charge separations in a collisionless plasma, do not need to invoke the frozen condition as in GRMHD simulations. 3-D GRPIC simulations show that jets are launched from Kerr black holes as in 3-D GRMHD simulations, but jet formation in the two cases may not be identical. Comparative study of black hole systems with GRPIC and GRMHD simulations with the inclusion of radiate transfer will further clarify the mechanisms that drive the evolution of disk-jet systems.

Nishikawa, Ken-Ichi↗
NASA NTRS2013

Automated, Ultra-Sterile Solid Sample Handling and Analysis on a Chip

There are no existing ultra-sterile lab-on-a-chip systems that can accept solid samples and perform complete chemical analyses without human intervention. The proposed solution is to demonstrate completely automated lab-on-a-chip manipulation of powdered solid samples, followed by on-chip liquid extraction and chemical analysis. This technology utilizes a newly invented glass micro-device for solid manipulation, which mates with existing lab-on-a-chip instrumentation. Devices are fabricated in a Class 10 cleanroom at the JPL MicroDevices Lab, and are plasma-cleaned before and after assembly. Solid samples enter the device through a drilled hole in the top. Existing micro-pumping technology is used to transfer milligrams of powdered sample into an extraction chamber where it is mixed with liquids to extract organic material. Subsequent chemical analysis is performed using portable microchip capillary electrophoresis systems (CE). These instruments have been used for ultra-highly sensitive (parts-per-trillion, pptr) analysis of organic compounds including amines, amino acids, aldehydes, ketones, carboxylic acids, and thiols. Fully autonomous amino acid analyses in liquids were demonstrated; however, to date there have been no reports of completely automated analysis of solid samples on chip. This approach utilizes an existing portable instrument that houses optics, high-voltage power supplies, and solenoids for fully autonomous microfluidic sample processing and CE analysis with laser-induced fluorescence (LIF) detection. Furthermore, the entire system can be sterilized and placed in a cleanroom environment for analyzing samples returned from extraterrestrial targets, if desired. This is an entirely new capability never demonstrated before. The ability to manipulate solid samples, coupled with lab-on-a-chip analysis technology, will enable ultraclean and ultrasensitive end-to-end analysis of samples that is orders of magnitude more sensitive than the ppb goal given in the Science Instruments.

Mora, Maria F.↗
DOE OSTI2024

Plate heat exchanger for heating or cooling bulk solids

A heat exchanger includes an inlet for receiving bulk solids, a plurality of heat transfer plate assemblies, a plurality of spacers disposed between adjacent heat transfer plate assemblies, and supports for supporting the heat transfer plate assemblies. The heat transfer plate assemblies include a first plate having a first pair of holes extending therethrough, the first plate having channels extending along a surface thereof, for the flow of fluid through the channels, and a second plate bonded to the first plate to enclose the channels, the second plate including a second pair of holes generally aligned with the first pair of holes to form through holes to facilitate flow of the fluid through the through holes and the channels.

Byman, Ashley D.↗
DOE OSTI2020

Debris Disk Results from the Gemini Planet Imager Exoplanet Survey's Polarimetric Imaging Campaign

We report the results of a ∼4 yr direct imaging survey of 104 stars to resolve and characterize circumstellar debris disks in scattered light as part of the Gemini Planet Imager (GPI) Exoplanet Survey. We targeted nearby (≲150 pc), young (≲500 Myr) stars with high infrared (IR) excesses (L {sub IR}/L {sub ⋆} > 10{sup −5}), including 38 with previously resolved disks. Observations were made using the GPI high-contrast integral field spectrograph in H-band (1.6 μm) coronagraphic polarimetry mode to measure both polarized and total intensities. We resolved 26 debris disks and 3 protoplanetary/transitional disks. Seven debris disks were resolved in scattered light for the first time, including newly presented HD 117214 and HD 156623, and we quantified basic morphologies of five of them using radiative transfer models. All of our detected debris disks except HD 156623 have dust-poor inner holes, and their scattered-light radii are generally larger than corresponding radii measured from resolved thermal emission and those inferred from spectral energy distributions. To assess sensitivity, we report contrasts and consider causes of nondetections. Detections were strongly correlated with high IR excess and high inclination, although polarimetry outperformed total intensity angular differential imaging for detecting low-inclination disks (≲70°). Based on postsurvey statistics, we improved upon our presurvey target prioritization metric predicting polarimetric disk detectability. We also examined scattered-light disks in the contexts of gas, far-IR, and millimeter detections. Comparing H-band and ALMA fluxes for two disks revealed tentative evidence for differing grain properties. Finally, we found no preference for debris disks to be detected in scattered light if wide-separation substellar companions were present.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

AI ensemble for signal detection of higher order gravitational wave modes of quasi-circular, spinning, non-precessing binary black hole mergers

We introduce spatiotemporal-graph models that concurrently process data from the twin advanced LIGO detectors and the advanced Virgo detector. We trained these AI classifiers with 2.4 million IMRPhenomXPHM waveforms that describe quasi-circular, spinning, non-precessing binary black hole mergers with component masses m{1,2}∈[3M⊙,50M⊙], and individual spins sz{1,2}∈[−0.9,0.9]; and which include the (ℓ,|m|)={(2,2),(2,1),(3,3),(3,2),(4,4)} modes, and mode mixing effects in the ℓ=3,|m|=2 harmonics. We trained these AI classifiers within 22 hours using distributed training over 96 NVIDIA V100 GPUs in the Summit supercomputer. We then used transfer learning to create AI predictors that estimate the total mass of potential binary black holes identified by all AI classifiers in the ensemble. We used this ensemble, 3 classifiers for signal detection and 2 total mass predictors, to process a year-long test set in which we injected 300,000 signals. This year-long test set was processed within 5.19 minutes using 1024 NVIDIA A100 GPUs in the Polaris supercomputer (for AI inference) and 128 CPU nodes in the ThetaKNL supercomputer (for post-processing of noise triggers), housed at the Argonne Leadership Computing Facility. These studies indicate that our AI ensemble provides state-of-the-art signal detection accuracy, and reports 2 misclassifications for every year of searched data. This is the first AI ensemble designed to search for and find higher order gravitational wave mode signals.

Tian, Minyang↗
DOE OSTI2024

Nature of Excitons and Their Ligand-Mediated Delocalization in Nickel Dihalide Charge-Transfer Insulators

The fundamental optical excitations of correlated transition-metal compounds are typically identified with multielectronic transitions localized at the transition-metal site, such as d d transitions. In this vein, intense interest has surrounded the appearance of sharp, below-band-gap optical transitions, i.e., excitons, within the magnetic phase of correlated Ni 2 + van der Waals magnets. The interplay of magnetic and charge-transfer insulating ground states in Ni 2 + systems raises intriguing questions on the roles of long-range magnetic order and of metal-ligand charge transfer in the exciton nature, which inspired microscopic descriptions beyond typical d d excitations. Here we study the impact of charge transfer and magnetic order on the excitation spectrum of the nickel dihalides ( Ni X 2 , X = Cl , Br, and I) using Ni- L 3 edge resonant inelastic x-ray scattering (RIXS). In all compounds, we detect sharp excitations, analogous to the recently reported excitons, and assign them to spin-singlet multiplets of octahedrally coordinated Ni 2 + stabilized by intra-atomic Hund’s exchange. Additionally, we demonstrate that these excitons are dispersive using momentum-resolved RIXS. Our data evidence a ligand-mediated multiplet dispersion, which is tuned by the charge-transfer gap and independent of the presence of long-range magnetic order. This reveals the mechanisms governing nonlocal interactions of on-site d d excitations with the surrounding crystal or magnetic structure, in analogy to ground-state superexchange. These measurements thus establish the roles of magnetic order, self-doped ligand holes, and intersite-coupling mechanisms for the properties of d d excitations in charge-transfer insulators. Published by the American Physical Society 2024

2-dimensional systems↗
DOE OSTI2024

A type-I van der Waals heterostructure formed by monolayer WS 2 and trilayer PdSe 2

Two-dimensional (2D) heterostructures, formed by stacking 2D semiconductors through the van der Waals force, have been extensively studied recently. However, the majority of the heterostructures discovered so far possess type-II interfaces that facilitate interlayer charge separation. Type-I interfaces, on the other hand, confine both electrons and holes in one layer, which is beneficial for optical applications that utilize electron–hole radiative recombination. So far, only a few type-I 2D heterostructures have been achieved, which has limited the construction of multilayer heterostructures with sophisticated band landscapes. Here, we report experimental evidence of a type-I interface between monolayer WS 2 and trilayer PdSe 2 . Two-dimensional PdSe 2 has emerged as a promising material for infrared optoelectronic and other applications. We fabricated the heterostructure by stacking an exfoliated monolayer WS 2 flake on top of a trilayer PdSe 2 film, synthesized by chemical vapor deposition. Photoluminescence spectroscopy measurements revealed that the WS 2 exciton peak is significantly quenched in the heterostructure, confirming efficient excitation transfer from WS 2 to PdSe 2 . Femtosecond transient absorption measurements with various pump/probe configurations showed that both electrons and holes photoexcited in the WS 2 layer of the heterostructure can efficiently transfer to PdSe 2 , while neither type of carriers excited in PdSe 2 can transfer to WS 2 . These experimental findings establish a type-I band alignment between monolayer WS 2 and trilayer PdSe 2 . Furthermore, our results further highlight PdSe 2 as an important 2D material for constructing van der Waals heterostructures with emergent electronic and optoelectronic properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Delocalization of dark and bright excitons in flat-band materials and the optical properties of V2O5

Abstract The simplest picture of excitons in materials with atomic-like localization of electrons is that of Frenkel excitons, where electrons and holes stay close together, which is associated with a large binding energy. Here, using the example of the layered oxide V 2 O 5 , we show how localized charge-transfer excitations combine to form excitons that also have a huge binding energy but, at the same time, a large electron-hole distance, and we explain this seemingly contradictory finding. The anisotropy of the exciton delocalization is determined by the local anisotropy of the structure, whereas the exciton extends orthogonally to the chains formed by the crystal structure. Moreover, we show that the bright exciton goes together with a dark exciton of even larger binding energy and more pronounced anisotropy. These findings are obtained by combining first principles many-body perturbation theory calculations, ellipsometry experiments, and tight binding modelling, leading to very good agreement and a consistent picture. Our explanation is general and can be extended to other materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2010

Validation of Heat Transfer and Film Cooling Capabilities of the 3-D RANS Code TURBO

The capabilities of the 3-D unsteady RANS code TURBO have been extended to include heat transfer and film cooling applications. The results of simulations performed with the modified code are compared to experiment and to theory, where applicable. Wilcox s k-turbulence model has been implemented to close the RANS equations. Two simulations are conducted: (1) flow over a flat plate and (2) flow over an adiabatic flat plate cooled by one hole inclined at 35 to the free stream. For (1) agreement with theory is found to be excellent for heat transfer, represented by local Nusselt number, and quite good for momentum, as represented by the local skin friction coefficient. This report compares the local skin friction coefficients and Nusselt numbers on a flat plate obtained using Wilcox's k-model with the theory of Blasius. The study looks at laminar and turbulent flows over an adiabatic flat plate and over an isothermal flat plate for two different wall temperatures. It is shown that TURBO is able to accurately predict heat transfer on a flat plate. For (2) TURBO shows good qualitative agreement with film cooling experiments performed on a flat plate with one cooling hole. Quantitatively, film effectiveness is under predicted downstream of the hole.

Shyam, Vikram↗
NASA NTRS1995

Delta XTE Spacecraft Removed from Transfer Cannister at Hangar AO, CCAS

The X-ray Timing Explorer (XTE) is a satellite that observes the fast-moving, high-energy worlds of black holes, neutron stars, X-ray pulsars and bursts of X-rays that light up the sky and then disappear forever. It was launched on Dec. 30, 1995. This videotape shows the spacecraft being removed from the transfer cannister. After the spacecraft is set down, the foil covering is removed by workers in clean room clothing.

Source record↗
DOE OSTI2026

Observation of Transition from Rate Law to Butler–Volmer Controlled Water Oxidation Kinetics on Hematite Photoanodes

Despite its central role in photoelectrochemical (PEC) water splitting, the mechanistic pathway of water oxidation on metal oxides remains unresolved, with population-based and Butler–Volmer (BV) models offering distinct views on how surface valence band holes drive the reaction. Here, we bring together these two perspectives by combining operando photoinduced absorption (PIA) spectroscopy with photocurrent analyses on α-Fe 2 O 3 (hematite) photoanodes as a function of light intensity. We find a crossover from population-controlled, rate law water oxidation at low hole densities to a BV-like, potential driven regime at high densities, triggered by band edge unpinning once surface M–OH species are fully oxidized, and excess holes accumulate without compensation. This mechanistic transition unifies competing models of interfacial charge transfer and reveals design principles for optimizing water oxidation in metal oxide photoelectrodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗